NATO Science Series: U #539: Crystal Engineering: The Design and Application of Functional Solids

Crystal engineering is a rapidly emerging, cross-disciplinary field that seeks to develop protocols for predicting and controlling the structure and thus the functional properties of solids. Such properties range from the mundane (colour, melting point) to those of great relevance to materials scientists and physicists (polarity, porosity, conductivity). The emergence of the field can be attributed to a corresponding rise in the importance of supramolecular chemistry and its relevance to areas as diverse as polymorphism in pharmaceuticals, nonlinear optics and high Tc superconductors. The crystal engineer needs an understanding of bonding theory, computational chemistry, applied spectroscopy, structural methods, synthesis strategies, and applications of custom-designed solids. This book contains chapters on all these topics, written by internationally recognised experts, in addition to contributions from some of the leading researchers in the field. Readership: Synthetic chemists, solid-state chemists, physicists, pharmaceutical researchers interested in polymorphism and the bulk properties of solids; theoreticians interested in the prediction of bulk properties. The book can serve both as an introduction to the field and an advanced research reference.

Crystal engineers need an understanding of bonding theory, computational chemistry, applied spectroscopy, structural methods, synthesis strategies, and applications of custom-designed solids. This book contains chapters on all these topics, written by internationally recognized experts, plus contributions from leading researchers in the field.

Preface. Crystal Engineering: A Case Study; K.R. Seddon. The Chemical Bond in Molecules and Solids; R.M. Lynden-Bell. Intermolecular Forces: Their Origin, Strength and Significance; A.D. Buckingham. Molecular Mechanics and Crystal Engineering; C.B. Aakeröy, R.E. Boyett. Developing a Semiempirical Method; J.J.P. Steward, A.C. Stewart. Ab initio Calculations: A User's Guide; T.A. Evans. Computational Studies of Molecular Recognition from Alkane Dimers to Protein-Ligand Complexes; W.L. Jorgensen, et al. Crystal Growth: From the Classical to Molecular Description; N. Blagden. Chemical Crystallography in Crystal Engineering; R.D. Robers. The Heart of the Matter: Spectroscopy with Neutrons; J. Tomkinson. Applications of Solid State NMR Spectroscopy to the Study of Crystalline Materials; J.A. Ripmeester, C.I. Ratcliffe. Thermal Properties of Materials; M.A. White. Orientationally Disordered Solids; R.M. Lynden-Bell. Hydrogen-bonding in Solids: Some Strategies and Aspects of Crystal Engineering; C.B. Aakeröy. Polymorphism and Pseudopolymorphism in Organic Crystals: A Cambridge Structural Database Study; J.A.R.P. Sarma, G.R. Desiraju. Molecular Recognition: Synthetic Approaches to Artificial Receptors; E. Fan, A.D. Hamilton. Crystal Engineering Based on Diffraction Studies of Supramolecular Compounds; J.L. Atwood. Coordination Polymers; M.J. Zaworotko. Chemically Engineering the Metallic, Insulating and Superconducting States of Matter; P.P. Edwards. Multi-sublattice (Intergrowth) Structures and the Design of Functional Solids; P. Coppens. Crystal Design in Zeolite Synthesis; D.E.W. Vaughan. Crystal Engineering: A Bibliography; K.R. Seddon. Afterword; R.M. Lynden-Bell. Index.